Difference between revisions of "LipidXplorer News"
From LipidXplorer
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* June 16th 2008: A new function for the SUCHTHAT section: 'column(<regular Expression>, <variable>)'. The given regular expression returns only the matching sample names of the variable given. This is for a selective query. | * June 16th 2008: A new function for the SUCHTHAT section: 'column(<regular Expression>, <variable>)'. The given regular expression returns only the matching sample names of the variable given. This is for a selective query. | ||
| − | * June 20th 2008: errors (errppm and errda) are now with the direction of the shift, i.e. with the algebraic sign. | + | * June 20th 2008: errors (errppm and errda) are now with the direction of the shift, i.e. with the algebraic sign. The error is calculated as: <theoretical mass> - <measured mass>. |
Revision as of 10:47, 20 June 2008
- June 16th 2008: The 'NOT' statement is now usable in the IDENTIFY section. This allows doing negative queries. For example:
DEFINE PR = 'C[20..100] H[30..200] N[1] O[8] P[1]' WITH DBR = (0,16), CHG = 1;
DEFINE pcHead = 'C5 H15 O4 P1 N1' WITH CHG = 1;
IDENTIFY phosphatedylcholine WHERE
PR IN MS1+ AND
NOT pcHead IN MS2+ WITH TOLERANCE = 50ppm
to check if 'PR' ignored some PC lipids.
- June 16th 2008: A new function for the SUCHTHAT section: 'column(<regular Expression>, <variable>)'. The given regular expression returns only the matching sample names of the variable given. This is for a selective query.
- June 20th 2008: errors (errppm and errda) are now with the direction of the shift, i.e. with the algebraic sign. The error is calculated as: <theoretical mass> - <measured mass>.
